N-(cyanomethyl)-2-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-(cyanomethyl)-2-methyl-3-nitrobenzamide
N-(cyanomethyl)-2-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y031-8149 |
| Compound Name: | N-(cyanomethyl)-2-methyl-3-nitrobenzamide |
| Molecular Weight: | 219.2 |
| Molecular Formula: | C10 H9 N3 O3 |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)C(NCC#N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4993 |
| logD: | 1.4993 |
| logSw: | -2.3278 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.337 |
| InChI Key: | SDMNSGQAXWHBCN-UHFFFAOYSA-N |